4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.107647081543818 stress="0.07067230614752658 -0.012757966085905905 0.00012851673795224858 -0.012757966085905905 0.0767853696760657 -0.00962235080608112 0.00012851673795224858 -0.00962235080608112 0.03959673469524781" free_energy=-0.107647081543818 pbc="T F F"
H       0.18745344       0.02015752       0.35039465       0.81763924       0.56651526       0.18436605 
H       1.37871118       1.25213077       0.13616082      -0.87875749      -0.47347330       0.53781741 
H       1.26429260       0.32957941       1.71980528      -0.97745574       0.98458479      -0.58993236 
H       0.29977655       1.68543805       1.45460942       1.03857399      -1.07762674      -0.13225110